6QMM

Crystal structure of Synecochoccus Spermidine Synthase in complex with putrescine, spermidine and MTA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	57.640, 63.820, 73.500
Unit cell angles	90.00, 92.72, 90.00

Refinement procedure

Resolution	48.170 - 2.180
R-factor	0.1441
Rwork	0.142
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yuv
RMSD bond length	0.023
RMSD bond angle	2.489
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.170	2.270
High resolution limit [Å]	2.180	2.180
Rmerge	0.072	0.226
Rmeas	0.083	0.261
Number of reflections	27391
<I/σ(I)>	16.18
Completeness [%]	99.0
Redundancy	4.2
CC(1/2)	0.997	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	0.1 M MES pH 6.0, 45 % v/v Pentaerythritol propoxylate (5/4 PO/OH)